(4-Isopropoxy-benzenesulfonyl)-acetonitrile
TL;DR: (4-Isopropoxy-benzenesulfonyl)-acetonitrile (CAS 886499-39-4) is a chemical compound with molecular formula C11H13NO3S and molecular weight 239.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-propan-2-yloxyphenyl)sulfonylacetonitrile
Also Known As: (4-Isopropoxy-benzenesulfonyl)-acetonitrile, 2-(4-propan-2-yloxyphenyl)sulfonylacetonitrile, 2-((4-Isopropoxyphenyl)sulfonyl)acetonitrile, (4-iso-propoxy-benzenesulfonyl)-acetonitrile, 2-(4-isopropoxyphenyl)sulfonylacetonitrile
| Molecular Formula | C11H13NO3S |
|---|---|
| Molecular Weight | 239.06 g/mol |
| LogP | 1.77108 |
| Topological Polar Surface Area | 67.16 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 239.06161 |
| Heavy Atoms | 16 |
| Complexity | 482.95612 |
Chemical Identifiers
| CAS Number | 886499-39-4 |
|---|---|
| SMILES | CC(C)OC1=CC=C(C=C1)S(=O)(=O)CC#N |
Product Overview
(4-Isopropoxy-benzenesulfonyl)-acetonitrile (CAS 886499-39-4), with molecular formula C11H13NO3S and molecular weight 239.06 g/mol. IUPAC: 2-(4-propan-2-yloxyphenyl)sulfonylacetonitrile.
Chemical Property Profile of (4-Isopropoxy-benzenesulfonyl)-acetonitrile
Property Insights of (4-Isopropoxy-benzenesulfonyl)-acetonitrile
The XLogP value of 1.77108 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Isopropoxy-benzenesulfonyl)-acetonitrile. The TPSA of 67.16 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-Isopropoxy-benzenesulfonyl)-acetonitrile. Following Lipinski's Rule of Five, (4-Isopropoxy-benzenesulfonyl)-acetonitrile has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (4-Isopropoxy-benzenesulfonyl)-acetonitrile?
The CAS number of (4-Isopropoxy-benzenesulfonyl)-acetonitrile is 886499-39-4.
What is the molecular formula of (4-Isopropoxy-benzenesulfonyl)-acetonitrile?
The molecular formula of (4-Isopropoxy-benzenesulfonyl)-acetonitrile is C11H13NO3S.
What is the molecular weight of (4-Isopropoxy-benzenesulfonyl)-acetonitrile?
The molecular weight of (4-Isopropoxy-benzenesulfonyl)-acetonitrile is 239.06 g/mol.
Where can I buy (4-Isopropoxy-benzenesulfonyl)-acetonitrile?
You can request a quote for (4-Isopropoxy-benzenesulfonyl)-acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Isopropoxy-benzenesulfonyl)-acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for (4-Isopropoxy-benzenesulfonyl)-acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.